SCHEMBL4396793

SCHEMBL4396793

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nc3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
USP2 O75604 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
STS P08842 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4397031 0.90 ALDH1A1 (0.51) L3MBTL1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL4401038 0.89 LMNA (0.46) L3MBTL1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4402171 0.87 ENPP3 (0.56) CLK1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL4394510 0.85 ENPP3 (0.60) CLK1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL4404654 0.85 ENPP3 (0.62) CLK1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL4397744 0.84 KMT2A (0.53) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL4397027 0.84 ENPP3 (0.53) CLK1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4397068 0.80 CLK1 (0.42) CLK1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4396712 0.80 MAOA (0.64) CLK1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL4398838 0.79 PCSK9 (0.43) CLK1L3MBTL1KMT2AMEN1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
EP-1745044-A2 BENZOTHIAZOLE DERIVATIVES HAVING CDK MODULATING ACTIVITY AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2007-01-24 EP disclosed
WO-2005097787-A2 NOVEL BENZOTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2005-10-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments TFEB, ABAT, BRD4 CLK1 2705/4885L3MBTL1 4287/4885KMT2A 2540/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.